5-tert-butyl-2-methyl-N-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 5-tert-butyl-2-methyl-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 5-tert-butyl-2-methyl-N-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 5-tert-butyl-2-methyl-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 5-tert-butyl-2-methyl-N-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Formula: C27H33N4O3S+ MolecularWeight: 493.64092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C27H32N4O3S/c1-20-8-11-22(27(2,3)4)19-24(20)35(33,34)29-23-12-9-21(10-13-23)26(32)31-17-15-30(16-18-31)25-7-5-6-14-28-25/h5-14,19,29H,15-18H2,1-4H3/p+1